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Chemical structure of 3'-Azido-3'-deoxythymidine β-D-glucuronide (sodium salt)

GC10387

3'-Azido-3'-deoxythymidine β-D-glucuronide (sodium salt)

Also known as sodium (2S,3S,4S,5R,6R)-6-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylate

Zidovudine O-β-D-glucuronide (3'-Azido-3'-deoxythymidine β-D-glucuronide) sodium is the major metabolite of Zidovudine

ChemicalCAS133525-01-6MW465.4FormulaC16H20N5O10 • Na
CAS number
133525-01-6
Molecular weight
465.4
Formula
C16H20N5O10 • Na
Solubility
≤0·5mg/ml in DMSO
InChIKey
ANFPIJBVCFGZOF-UACHAAAFSA-M
Catalogue number
GC10387
Brand
GLPBIO
Computed properties PubChem CID 71313575 · TPSA 192 Ų · H-bond donors 4 · H-bond acceptors 12
TPSA
192 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
32

SMILES CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)N=[N+]=[N-].[Na+]

Computed descriptors from PubChem (CID 71313575), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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